Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

Лаборатория изучения механизмов органических реакций

Conformational analysis of 3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-ol

Methods of conformational anlysis:
Energy by DFT/PBE/L22 (cc-pVDZ) (PRIRODA program).

On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>




0.00 0.00 0.13 0.13 2.12 2.12 2.32 2.32 2.40 2.40 2.41 2.41 2.42 2.42 2.52 2.52 2.55 2.55 4.23 4.23 4.35 4.35 4.79 4.79 4.80 4.80 4.89 4.89 5.06 5.06 5.71 5.71 5.96 5.96 7.40 7.40 7.77 7.77 8.07 8.07